N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C12H12N2O3 — CID 28780641

IUPACN-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C12H12N2O3/c1-7-11(8(2)17-14-7)12(16)13-9-3-5-10(15)6-4-9/h3-6,15H,1-2H3,(H,13,16)
InChIKeyAKWYUSMQMXFTNI-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.25
Rot. Bonds2

About N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 28780641) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID28780641
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C12H12N2O3/c1-7-11(8(2)17-14-7)12(16)13-9-3-5-10(15)6-4-9/h3-6,15H,1-2H3,(H,13,16)
InChIKeyAKWYUSMQMXFTNI-UHFFFAOYSA-N
XLogP2.25
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330
N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 61222499
N-(4-ethylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 42021822
3-(2,6-dichlorophenyl)-N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1008270
N-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 71881165
3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 7999169
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245318
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2225142
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4782277
N-(5-acetamido-2-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 60557374
N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7926548
N-(3-chloro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39135194

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 28780641) is N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is AKWYUSMQMXFTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-11(8(2)17-14-7)12(16)13-9-3-5-10(15)6-4-9/h3-6,15H,1-2H3,(H,13,16).
What are the key properties of N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 28780641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).